Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.33 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | HTR1D | P28221 | 1/20 | 0.33 |
| ▸ | HTR1B | P28222 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | SENP1 | Q9P0U3 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11747820 | 0.79 | TRPA1 (0.39) | ALDH1A1TRPA1CYP1A2PSMD14COPS5 | |
| SCHEMBL28460155 | 0.79 | TRPA1 (0.39) | ALDH1A1TRPA1CYP1A2ATMKDM4E | |
| SCHEMBL436758 | 0.79 | ALDH1A1 (0.43) | ALDH1A1TRPA1PSMD14COPS5GABRA1 | |
| SCHEMBL29407125 | 0.77 | ALDH1A1 (0.53) | ALDH1A1TRPA1CYP1A2GABRA1GABRB2 | |
| SCHEMBL15485256 | 0.77 | ALDH1A1 (0.53) | ALDH1A1TRPA1CYP1A2GABRA1GABRB2 | |
| SCHEMBL23915 | 0.77 | ALDH1A1 (0.53) | ALDH1A1TRPA1CYP1A2GABRA1GABRB2 | |
| Hydrochloric Acid SCHEMBL3295087 | 0.77 | TRPA1 (0.37) | ALDH1A1TRPA1CYP1A2PSMD14COPS5 | |
| SCHEMBL11018429 | 0.76 | ALDH1A1 (0.46) | ALDH1A1TRPA1CYP1A2GABRA1GABRB2 | |
| SCHEMBL577349 | 0.75 | PSMD14 (0.37) | ALDH1A1TRPA1CYP1A2PSMD14COPS5 | |
| SCHEMBL44351 | 0.73 | ALDH1A1 (0.62) | ALDH1A1TRPA1CYP1A2GABRA1GABRB2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115557865-A | Thioether-promoted cysteine-based bioconjugation method | 南京工业大学 | 2023-01-03 | — | — | CN | claimed |
| CN-117467139-A | Intramolecular toughening flame-retardant synergistic silsesquioxane, preparation method and composite material | 航天材料及工艺研究所 | 2024-01-30 | — | — | CN | disclosed |
| CN-112321477-B | 3, 5-dimethyl-4-sulfuryl-1H-pyrrole compound, preparation method and application | 中国药科大学 | 2022-07-12 | — | — | CN | disclosed |
| WO-2022111202-A1 | 3,5-DIMETHYL-4-SULFONE GROUP-1H-PYRROLE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF | 中国药科大学 | 2022-06-02 | — | — | WO | disclosed |
| CN-112321477-A | 3, 5-dimethyl-4-sulfuryl-1H-pyrrole compound, preparation method and application | 中国药科大学 | 2021-02-05 | — | — | CN | disclosed |